TYA5
TL;DR: TYA5 (CAS 159878-30-5) is a chemical compound with molecular formula C38H52N4O6S2 and molecular weight 724.3328 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[[(2S)-2-(methanesulfonamido)-3-naphthalen-2-ylsulfinylpropanoyl]amino]-4-phenylbutyl]-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-3-carboxamide
Also Known As: TYA5, Saquinavir/Nelfinavir deriv. 14, J1.824.978B, (3S,4aS,8aS)-N-tert-butyl-2-[(2R,3S)-2-hydroxy-3-[(2S)-2-methanesulfonamido-3-(naphthalene-2-sulfinyl)propanamido]-4-phenylbutyl]-decahydroisoquinoline-3-carboxamide, 3-Isoquinolinecarboxamide, N-(1,1-dimethylethyl)decahydro-2-(2-hydroxy-3-((2-((methylsulfonyl)amino)-3-(2-naphthalenylsulfinyl)-1-oxopropyl)amino)-4-phenylbutyl)-, (3S-(2(2S*,3R*(1R*)),3alpha,4abeta,8abeta))-
Technical Specifications
| Molecular Formula | C38H52N4O6S2 |
| Molecular Weight | 724.3328 g/mol |
| XLogP | 4.9 |
| Topological Polar Surface Area (TPSA) | 173.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 14 |
| Exact Mass | 724.3328 Da |
| Heavy Atoms | 50 |
| Complexity | 1260.0 |
| SMILES | CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2CN1C[C@H]([C@H](CC3=CC=CC=C3)NC(=O)[C@@H](CS(=O)C4=CC5=CC=CC=C5C=C4)NS(=O)(=O)C)O |
| InChIKey | HSGWMHCBWWNMPP-SRYSGFPJSA-N |
Chemical Property Profile of TYA5
Property Insights of TYA5
The XLogP value of 4.9 indicates that TYA5 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 173.0 Ų indicates high polarity, suggesting TYA5 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, TYA5 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of TYA5?
The CAS number of TYA5 is 159878-30-5.
What is the molecular formula of TYA5?
The molecular formula of TYA5 is C38H52N4O6S2.
What is the molecular weight of TYA5?
The molecular weight of TYA5 is 724.3328 g/mol.
Where can I buy TYA5?
You can request a quote for TYA5 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for TYA5?
Yes, CoreyChem provides custom synthesis services for TYA5 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.